CID 2775319

175277-21-1

Structural Information

Molecular Formula

C₇H₆F₃N₃O₂

SMILES

CNC1=C(C=C(C=N1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C7H6F3N3O2/c1-11-6-5(13(14)15)2-4(3-12-6)7(8,9)10/h2-3H,1H3,(H,11,12)

InChIKey

UFFBYIGPCGICNB-UHFFFAOYSA-N

Compound name

N-methyl-3-nitro-5-(trifluoromethyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 221.04121 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.04849	135.2
[M+Na]+	244.03043	144.4
[M+NH4]+	239.07503	140.1
[M+K]+	260.00437	143.2
[M-H]-	220.03393	133.1
[M+Na-2H]-	242.01588	139.7
[M]+	221.04066	135.4
[M]-	221.04176	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe